SCHEMBL31070541

SCHEMBL31070541

c1cc(-c2ccc3c(c2)CNC3)cs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GRIA2 P42262 1/20 0.43
CYP2A6 P11509 5/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2B6 P20813 2/20 0.41
ASIC3 Q9UHC3 4/20 0.40
ACMSD Q8TDX5 1/20 0.40
ERN1 O75460 1/20 0.40
PTPRC P08575 1/20 0.40
BACE1 P56817 1/20 0.39
PDK2 Q15119 1/20 0.37
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25406858 0.86 ASIC3 (0.58) KCNH2ASIC3HTR7HTR6
SCHEMBL8322067 0.86 ASIC3 (0.50) ASIC3
Hydrochloric Acid SCHEMBL6294589 0.85 ASIC3 (0.56) KCNH2ASIC3HTR7HTR6
SCHEMBL30948932 0.73 PDE3B (0.50) ASIC3
SCHEMBL8676339 0.72 TYRO3 (0.50) ASIC3HTR7
SCHEMBL29543554 0.72 TYRO3 (0.50) ASIC3HTR7
SCHEMBL3875278 0.71 ASIC3 (0.38) ASIC3
SCHEMBL13291982 0.71 GRIA2 (0.57) KCNH2GRIA2CYP2A6CYP2E1CYP2B6
SCHEMBL25919862 0.71 CLK4 (0.62) KCNH2GRIA2ACMSDERN1PTPRC
SCHEMBL29386484 0.71 CYP2D6 (0.49) ASIC3HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed